SCHEMBL4406616

SCHEMBL4406616

CCOC(=O)N1CCC(NC(=O)c2cnc(-c3ccccc3)nc2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRM2 P08172 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
NOS2 P35228 1/20 0.51
GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1364239 0.87 DGAT1 (0.48) KDM4EALDH1A1HSD17B10TSHRKMT2A
SCHEMBL14094525 0.85 DGAT1 (0.53) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL1364923 0.85 DGAT1 (0.53) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL2070222 0.84 MAPK1 (0.60) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL1366388 0.83 POLB (0.63) TSHRKMT2AMEN1LMNAMAPK1
SCHEMBL1367559 0.82 DGAT1 (0.51) ALDH1A1
SCHEMBL1366822 0.80 DRD4 (0.60) KDM4EALDH1A1TSHRL3MBTL1CHRM2
SCHEMBL1366703 0.79 DGAT1 (0.55) SMN1; SMN2
SCHEMBL20641839 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10TSHRKMT2A
SCHEMBL20641827 0.78 MEN1 (0.50) KDM4EALDH1A1HSD17B10TSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S KDM4E 3037/4885ALDH1A1 134/4885HSD17B10 173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.